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Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-(methylsulfanyl)butanoate
SpectraBase Compound ID 8RKz8aM5Hk9
InChI InChI=1S/C12H16F7NO3S/c1-3-5-23-8(21)7(4-6-24-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h7H,3-6H2,1-2H3,(H,20,22)
InChIKey DXEDYBBAJBCCRO-UHFFFAOYSA-N
Mol Weight 387.31 g/mol
Molecular Formula C12H16F7NO3S
Exact Mass 387.073912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHt7GGfnDFn
Name Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-(methylsulfanyl)butanoate
CAS Registry Number 88436-11-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16F7NO3S
InChI InChI=1S/C12H16F7NO3S/c1-3-5-23-8(21)7(4-6-24-2)20-9(22)10(13,14)11(15,16)12(17,18)19/h7H,3-6H2,1-2H3,(H,20,22)
InChIKey DXEDYBBAJBCCRO-UHFFFAOYSA-N
Molecular Weight 387.313 g/mol
SMILES N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C(OCCC)=O)CCSC
SPLASH splash10-03di-9031000000-0e8e615300faadfdbaf0
Source of Spectrum W5-1989-6811-1
Synonyms 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-(methylthio)butyric acid propyl ester 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-4-(methylthio)butanoic acid propyl ester N-(Heptafluorobutyryl)methionine propyl ester Propyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-4-methylsulfanyl-butanoate Propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methylsulfanylbutanoate
Wiley ID 1363271